Compound Detail
CHEMBL4799858
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CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(-c4ccc(S(N)(=O)=O)c(F)c4)cc23)c1F
Basic Information
| ChEMBL ID | CHEMBL4799858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQXMCUPFUFASOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
553.5
MW (Da)
3.07
ALogP
7
HBA
3
HBD
165.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 4 CHEMBL2897 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 4 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of MKK4/(unknown origin) using JNK1 as substrate in presence of [gamm... | - |
Data from ChEMBL 36 via Core Engine